4-fluoro-N-[3-[1-(2-methoxyethoxymethyl)tetrazol-5-yl]-5-pyridin-3-yloxyphenyl]benzamide

C23H21FN6O4 — CID 22136189

IUPAC4-fluoro-N-[3-[1-(2-methoxyethoxymethyl)tetrazol-5-yl]-5-pyridin-3-yloxyphenyl]benzamide
SMILESCOCCOCn1nnnc1-c1cc(NC(=O)c2ccc(F)cc2)cc(Oc2cccnc2)c1
InChIInChI=1S/C23H21FN6O4/c1-32-9-10-33-15-30-22(27-28-29-30)17-11-19(26-23(31)16-4-6-18(24)7-5-16)13-21(12-17)34-20-3-2-8-25-14-20/h2-8,11-14H,9-10,15H2,1H3,(H,26,31)
InChIKeyFXMZBSIKGBEJFE-UHFFFAOYSA-N
MW464.46 g/mol
LogP3.54
Rot. Bonds10

About 4-fluoro-N-[3-[1-(2-methoxyethoxymethyl)tetrazol-5-yl]-5-pyridin-3-yloxyphenyl]benzamide

4-fluoro-N-[3-[1-(2-methoxyethoxymethyl)tetrazol-5-yl]-5-pyridin-3-yloxyphenyl]benzamide (PubChem CID 22136189) has the molecular formula C23H21FN6O4 and a molecular weight of 464.46 g/mol. Its IUPAC name is 4-fluoro-N-[3-[1-(2-methoxyethoxymethyl)tetrazol-5-yl]-5-pyridin-3-yloxyphenyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[3-[1-(2-methoxyethoxymethyl)tetrazol-5-yl]-5-pyridin-3-yloxyphenyl]benzamide
PubChem CID22136189
Molecular FormulaC23H21FN6O4
Molecular Weight464.46 g/mol
Exact Mass464.16
IUPAC Name4-fluoro-N-[3-[1-(2-methoxyethoxymethyl)tetrazol-5-yl]-5-pyridin-3-yloxyphenyl]benzamide
SMILESCOCCOCn1nnnc1-c1cc(NC(=O)c2ccc(F)cc2)cc(Oc2cccnc2)c1
InChIInChI=1S/C23H21FN6O4/c1-32-9-10-33-15-30-22(27-28-29-30)17-11-19(26-23(31)16-4-6-18(24)7-5-16)13-21(12-17)34-20-3-2-8-25-14-20/h2-8,11-14H,9-10,15H2,1H3,(H,26,31)
InChIKeyFXMZBSIKGBEJFE-UHFFFAOYSA-N
XLogP3.54
TPSA113.28 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.46
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[3-[1-(2-methoxyethoxymethyl)tetrazol-5-yl]-5-pyridin-3-yloxyphenyl]benzamide?
The IUPAC name of 4-fluoro-N-[3-[1-(2-methoxyethoxymethyl)tetrazol-5-yl]-5-pyridin-3-yloxyphenyl]benzamide (CID 22136189) is 4-fluoro-N-[3-[1-(2-methoxyethoxymethyl)tetrazol-5-yl]-5-pyridin-3-yloxyphenyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[3-[1-(2-methoxyethoxymethyl)tetrazol-5-yl]-5-pyridin-3-yloxyphenyl]benzamide?
The canonical SMILES for 4-fluoro-N-[3-[1-(2-methoxyethoxymethyl)tetrazol-5-yl]-5-pyridin-3-yloxyphenyl]benzamide is COCCOCn1nnnc1-c1cc(NC(=O)c2ccc(F)cc2)cc(Oc2cccnc2)c1.
What is the InChIKey of 4-fluoro-N-[3-[1-(2-methoxyethoxymethyl)tetrazol-5-yl]-5-pyridin-3-yloxyphenyl]benzamide?
The InChIKey is FXMZBSIKGBEJFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN6O4/c1-32-9-10-33-15-30-22(27-28-29-30)17-11-19(26-23(31)16-4-6-18(24)7-5-16)13-21(12-17)34-20-3-2-8-25-14-20/h2-8,11-14H,9-10,15H2,1H3,(H,26,31).
What are the key properties of 4-fluoro-N-[3-[1-(2-methoxyethoxymethyl)tetrazol-5-yl]-5-pyridin-3-yloxyphenyl]benzamide?
4-fluoro-N-[3-[1-(2-methoxyethoxymethyl)tetrazol-5-yl]-5-pyridin-3-yloxyphenyl]benzamide has a molecular weight of 464.46 g/mol, XLogP of 3.54, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[3-[1-(2-methoxyethoxymethyl)tetrazol-5-yl]-5-pyridin-3-yloxyphenyl]benzamide is sourced from PubChem (CID 22136189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).